General Information of the Compound
| Compound ID |
CP0531606
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| Compound Name |
N-(2-fluorophenyl)-4-[5-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]pyridin-2-yl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C27H26FN5O4
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| Molecular Weight |
503.534
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| Canonical SMILES |
COc1ccc2oc(C(=O)Nc3ccc(nc3)N3CCN(CC3)C(=O)Nc3ccccc3F)c(C)c2c1
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| InChI |
InChI=1S/C27H26FN5O4/c1-17-20-15-19(36-2)8-9-23(20)37-25(17)26(34)30-18-7-10-24(29-16-18)32-11-13-33(14-12-32)27(35)31-22-6-4-3-5-21(22)28/h3-10,15-16H,11-14H2,1-2H3,(H,30,34)(H,31,35)
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| InChIKey |
UVLGNYZXPBZDNZ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound